SCHEMBL1306757

SCHEMBL1306757

CN(C)CC(C)(C)CN(C/C(=C\c1ccc(C(=O)O)cc1)COc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ DAPK1 P53355 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ OGG1 O15527 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HTR1B P28222 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1306931 1.00 P2RX3 (0.39) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1306759 1.00 P2RX3 (0.39) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL3831385 0.88 TSHR (0.38) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1305730 0.86 MAPT (0.39) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1305732 0.86 MAPT (0.39) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL3832922 0.86 P2RX3 (0.38) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1306624 0.86 P2RX3 (0.40) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1306626 0.86 P2RX3 (0.40) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1306704 0.86 P2RX3 (0.40) P2RX3TSHRKDM4EALDH1A1HPGD
SCHEMBL1305391 0.84 TSHR (0.38) P2RX3TSHRKDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 P2RX3 4630/4885TSHR 4062/4885KDM4E 125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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